Results 91 to 100 of about 2,144,277 (316)

Calpain small subunit homodimerization is robust and calcium‐independent

FEBS Letters, EarlyView.
Calpains dimerize via penta‐EF‐hand (PEF) domains. Using single‐molecule force spectroscopy, we measured the strength and kinetics of PEF–PEF homodimer binding. The interaction is robust, shows a transient conformational step before dissociation, and remains largely insensitive to Ca2+.
Nesha May O. Andoy, Trina Dykstra‐MacPherson, Mathias A. Bell, Peter L. Davies, Ruby May A. Sullan   +4 more
wiley   +1 more source

Skeletal dysmorphology and mineralization defects in Fgf20 KO mice

Frontiers in Endocrinology
IntroductionFibroblast growth factor 20 (Fgf20), a member of the Fgf9 subfamily, was identified as an important regulator of bone differentiation and homeostasis processes. However, the role of Fgf20 in bone physiology has not been approached yet.
Sylvie Dlugosova, Frantisek Spoutil, Carlos Eduardo Madureira Trufen, Betul Melike Ogan, Michaela Prochazkova, Olha Fedosieieva, Petr Nickl, Goretti Aranaz Novaliches, Radislav Sedlacek, Radislav Sedlacek, Jan Prochazka, Jan Prochazka   +11 more
doaj   +1 more source

Native or Non-Native Protein-Protein Docking Models? Molecular Dynamics to the Rescue. [PDF]

J Chem Theory Comput, 2021
Jandova Z, Vargiu AV, Bonvin AMJJ.
europepmc   +1 more source

Coarse-Grained Models Reveal Functional Dynamics – II. Molecular Dynamics Simulation at the Coarse-Grained Level – Theories and Biological Applications

, 2008
Molecular dynamics (MD) simulation has remained the most indispensable tool in studying equilibrium/non-equilibrium conformational dynamics since its advent 30 years ago.
Lee-Wei Yang, Choon-Peng Chng
core   +1 more source

QSPR Models for Predicting Critical Micelle Concentration of Gemini Cationic Surfactants Combining Machine-Learning Methods and Molecular Descriptors

, 2020
A data set of 231 diverse gemini cationic surfactants has been developed to correlate the logarithm of critical micelle concentration (cmc) with the molecular structure using a quantitative structure-property relationship (QSPR) methods. The QSPR models
Mudasir, Mudasir, Karna, Wijaya, Ely, Setiawan   +2 more
core   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Molecular modelling of fentanyl analogs

Journal of the Serbian Chemical Society, 2004
Fentanyl is a highly potent and clinically widely used narcotic analgesic. A large number of its analogs have been synthesized, some of which (sufentanil and alfentanyl) are also in clinical use. Theoretical studies, in recent years, afforded a better understanding of the structure-activity relationships of this class of opiates and allowed insight ...
openaire   +3 more sources

Post-Traumatic Epilepsy and Comorbidities: Advanced Models, Molecular Mechanisms, Biomarkers, and Novel Therapeutic Interventions. [PDF]

Pharmacol Rev, 2022
Golub VM, Reddy DS.
europepmc   +1 more source

Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system

FEBS Letters, EarlyView.
Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley   +1 more source

Novel human neurodevelopmental and neurodegenerative disease associated with IRF2BPL gene variants—mechanisms and therapeutic avenues

Frontiers in Neuroscience
Recently a broad range of phenotypic abnormalities related to the neurodevelopmental and neurodegenerative disorder NEDAMSS (Neurodevelopmental Disorder with Regression, Abnormal Movements, Loss of Speech, and Seizures) have been associated with rare ...
Daniel Bauersachs, Louise Bomholtz, Sara del Rey Mateos, Ralf Kühn, Pawel Lisowski, Pawel Lisowski   +5 more
doaj   +1 more source